1-[(S)-(4-fluorophenyl)-pyridin-4-yl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(4-fluorophenyl)-pyridin-4-yl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(4-fluorophenyl)-(4-pyridyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperazin-4-ium IUPAC Name: 1-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-(4-fluorophenyl)-(4-pyridyl)methyl]piperazin-4-ium Formula: C16H19FN3+ MolecularWeight: 272.340563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC=C(C=C2)F)C3=CC=NC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C2=CC=C(C=C2)F)C3=CC=NC=C3

InChI

InChI=1S/C16H18FN3/c17-15-3-1-13(2-4-15)16(14-5-7-18-8-6-14)20-11-9-19-10-12-20/h1-8,16,19H,9-12H2/p+1/t16-/m0/s1